[gmx-users] number of helical residue
jalemkul at vt.edu
Sun Jan 6 00:13:17 CET 2013
On 1/5/13 3:34 PM, Parisa Rahmani wrote:
> Hi gmx users,
> I want to get number of helical residue as a function of time ,
> but by running
> g_helix -s protein.tpr -f protein_pbc.pdb -n index.ndx ,
> no n-ahx.xvg output is generated.
Looking at the code, no version of Gromacs has ever produced this file. I have
removed its reference in the help text for the next release. Thanks for
reporting this bug.
You can get a count of any secondary structure element by using do_dssp.
Justin A. Lemkul, Ph.D.
Department of Biochemistry
jalemkul[at]vt.edu | (540) 231-9080
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